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Geometry for C6H4O2 (parabenzoquinone) 1Ag D2H

1910171554
InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H INChIKey=AZQWKYJCGOJGHM-UHFFFAOYSA-N

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Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.4305   1.4305 0.0000 0.0000
C2 0.0000 0.0000 -1.4305   -1.4305 0.0000 0.0000
C3 0.0000 1.2701 0.6588   0.6588 1.2701 0.0000
C4 0.0000 -1.2701 0.6588   0.6588 -1.2701 0.0000
C5 0.0000 -1.2701 -0.6588   -0.6588 -1.2701 0.0000
C6 0.0000 1.2701 -0.6588   -0.6588 1.2701 0.0000
O7 0.0000 0.0000 2.6181   2.6181 0.0000 0.0000
O8 0.0000 0.0000 -2.6181   -2.6181 0.0000 0.0000
H9 0.0000 2.1723 1.2388   1.2388 2.1723 0.0000
H10 0.0000 -2.1723 1.2388   1.2388 -2.1723 0.0000
H11 0.0000 -2.1723 -1.2388   -1.2388 -2.1723 0.0000
H12 0.0000 2.1723 -1.2388   -1.2388 2.1723 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 O7 O8 H9 H10 H11 H12
C1 2.8609 1.4862 1.4862 2.4451 2.4451 1.1876 4.0485 2.1807 2.1807 3.4415 3.4415
C2 2.8609 2.4451 2.4451 1.4862 1.4862 4.0485 1.1876 3.4415 3.4415 2.1807 2.1807
C3 1.4862 2.4451 2.5402 2.8617 1.3177 2.3349 3.5144 1.0725 3.4909 3.9308 2.1011
C4 1.4862 2.4451 2.5402 1.3177 2.8617 2.3349 3.5144 3.4909 1.0725 2.1011 3.9308
C5 2.4451 1.4862 2.8617 1.3177 2.5402 3.5144 2.3349 3.9308 2.1011 1.0725 3.4909
C6 2.4451 1.4862 1.3177 2.8617 2.5402 3.5144 2.3349 2.1011 3.9308 3.4909 1.0725
O7 1.1876 4.0485 2.3349 2.3349 3.5144 3.5144 5.2361 2.5732 2.5732 4.4265 4.4265
O8 4.0485 1.1876 3.5144 3.5144 2.3349 2.3349 5.2361 4.4265 4.4265 2.5732 2.5732
H9 2.1807 3.4415 1.0725 3.4909 3.9308 2.1011 2.5732 4.4265 4.3446 5.0013 2.4775
H10 2.1807 3.4415 3.4909 1.0725 2.1011 3.9308 2.5732 4.4265 4.3446 2.4775 5.0013
H11 3.4415 2.1807 3.9308 2.1011 1.0725 3.4909 4.4265 2.5732 5.0013 2.4775 4.3446
H12 3.4415 2.1807 2.1011 3.9308 3.4909 1.0725 4.4265 2.5732 2.4775 5.0013 4.3446
Maximum atom distance is 5.2361Å between atoms O7 and O8.
picture of parabenzoquinone
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C6 121.280 C1 C4 C5 121.280
C2 C5 C4 121.280 C2 C6 C3 121.280
C3 C1 C4 117.440 C3 C1 O7 121.280
C4 C1 O7 121.280 C5 C2 C6 117.440
C5 C2 O8 121.280 C6 C2 O8 121.280
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 115.985 C1 C4 H10 115.985
C2 C5 H11 115.985 C2 C6 H12 115.985
C3 C6 H12 122.735 C4 C5 H11 122.735
C5 C4 H10 122.735 C6 C3 H9 122.735

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.